- InChI
- InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
- InChI Key
- GYCMBHHDWRMZGG-UHFFFAOYSA-N
- Formula
- C4H5N
- SMILES
- C=C(C)C#N
- Molecular Weight1
- 67.09
- CAS
- 126-98-7
- Other Names
-
- .alpha.-methylacrylonitrile
- 1-Methyl-1-cyanoethylene
- 2-Cyano-1-propene
- 2-Cyanopropene
- 2-Cyanopropene-1
- 2-Methyl-2-propenenitrile
- 2-Methylacrylonitrile
- 2-Methylpropenenitrile
- 2-Propenenitrile, 2-methyl-
- ALPHA-METHACRYLONITRILE
- CH2C(CH3)CN
- ISOPROPENE CYANIDE
- ISOPROPENYLNITRILE
- METHACRYLONITRILE
- NSC 24145
- Propenenitrile, 2-methyl
- Rcra waste number U152
- USAF ST-40
- «alpha»-Methacrylonitrile
- «alpha»-Methylacrylonitrile
- «alpha»-Methacrylonitrile
- «alpha»-Methylacrylonitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| EA | 0.01 | eV | NIST |
| ΔfG° | 195.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 154.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.39 | kJ/mol | Joback Calculated Property |
| IE | [10.34; 10.37] | eV |
|
| IE | 10.34 | eV | NIST |
| IE | 10.37 ± 0.02 | eV | NIST |
| IE | 10.37 ± 0.05 | eV | NIST |
| log10WS | -1.22 | Crippen Calculated Property | |
| logPoct/wat | 1.086 | Crippen Calculated Property | |
| McVol | 64.300 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Inp | [560.00; 614.00] |
|
|
| Inp | 611.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 574.90 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 575.00 | NIST | |
| Tboil | [363.00; 363.50] | K |
|
| Tboil | 363.00 ± 3.00 | K | NIST |
| Tboil | 363.50 | K | NIST |
| Tc | 590.11 | K | Joback Calculated Property |
| Tfus | 184.11 | K | Joback Calculated Property |
| Vc | 0.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.25; 134.39] | J/mol×K | [389.56; 590.11] |
|
| Cp,gas | 104.25 | J/mol×K | 389.56 | Joback Calculated Property |
| Cp,gas | 109.93 | J/mol×K | 422.98 | Joback Calculated Property |
| Cp,gas | 115.34 | J/mol×K | 456.41 | Joback Calculated Property |
| Cp,gas | 120.48 | J/mol×K | 489.83 | Joback Calculated Property |
| Cp,gas | 125.36 | J/mol×K | 523.26 | Joback Calculated Property |
| Cp,gas | 130.00 | J/mol×K | 556.68 | Joback Calculated Property |
| Cp,gas | 134.39 | J/mol×K | 590.11 | Joback Calculated Property |
| Cp,liquid | 126.30 | J/mol×K | 298.15 | NIST |
| ΔvapH | [35.40; 36.50] | kJ/mol | [296.00; 323.00] |
|
| ΔvapH | 35.40 | kJ/mol | 296.00 | NIST |
| ΔvapH | 36.50 | kJ/mol | 323.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.27; 205.82] | kPa | [237.35; 388.44] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48730e+01 | |||
| Coefficient B | -3.51409e+03 | |||
| Coefficient C | -2.03170e+01 | |||
| Temperature range, min. | 237.35 | |||
| Temperature range, max. | 388.44 | |||
| Pvap | 0.27 | kPa | 237.35 | Calculated Property |
| Pvap | 0.86 | kPa | 254.14 | Calculated Property |
| Pvap | 2.34 | kPa | 270.93 | Calculated Property |
| Pvap | 5.65 | kPa | 287.71 | Calculated Property |
| Pvap | 12.27 | kPa | 304.50 | Calculated Property |
| Pvap | 24.46 | kPa | 321.29 | Calculated Property |
| Pvap | 45.33 | kPa | 338.08 | Calculated Property |
| Pvap | 78.96 | kPa | 354.86 | Calculated Property |
| Pvap | 130.43 | kPa | 371.65 | Calculated Property |
| Pvap | 205.82 | kPa | 388.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Methylacrylonitrile.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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